Methyl Propionate

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CAS Number

554-12-1

Synonyms

Propionic Acid Methyl Ester

MDL Number

MFCD00009306

Purity

>99.0%

Smiles

CCC (=O) OC

Chemical Information

Methyl propionate

Methyl propionate is a carboxylic ester.

CAS Number	554-12-1
PubChem CID	11124
IUPAC Name	methyl propanoate
Molecular Formula	C4H8O2
Molecular Weight	88.11
XLogP	0.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	49

SMILES

CCC(=O)OC

InChI

InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3

InChIKey

RJUFJBKOKNCXHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 554-12-1

CID: 11124

Formula: C4H8O2

MW: 88.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	88.11
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	88.052429494
Monoisotopic Mass	88.052429494
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	49.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR300521-01	Methyl 3- (methoxycarbonylmethylamino) propionate
OR471116	Methyl 2- (Dimethoxyphosphoryl) propionate
OR1026772-01	Methyl 3- (Dimethylamino) Propionate
OR300505-01	Methyl 3- (phenylamino) propionate
OR912911-01	Methyl 3- (3-hydroxyphenyl) propionate
OR350280-01	Methyl 3- (2-Bromophenyl) propionate
OR937304-01	Methyl 3-[4- (chlorosulfonyl) phenyl]propionate
OR1003423-01	Methyl (4-Benzylpiperazin-1-yl) propionate
OR77595-01	Ethyl 2-methyl-2- (phenylthiocarbonylthio) propionate
OR958061-01	Methyl 3- (2,4-dihydroxyphenyl) propionate

Catalog	Name
MBS392503-01	Methyl Propionate
HY-130186-01	Methyl propionate-PEG12
HY-138481	Boc-PEG4-methyl propionate
TN9672-01	Methyl 3- (methylthio) propionate
TRC-M238645-1G	Methyl 3-(methylthio)propionate
sc-269413	Methyl 2- (methylthio) propionate
AR-P32950-01	Methyl 3-Methoxy-Propionate
T208043-01	THP-PEG2-methyl propionate
sc-235714	Methyl 3- (dimethylamino) propionate